N-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide

C15H14N6O3 — CID 23732160

IUPACN-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1c(O)nc(Nc2nc(C)c3ccccc3n2)[nH]c1=O
InChIInChI=1S/C15H14N6O3/c1-7-9-5-3-4-6-10(9)18-14(16-7)21-15-19-12(23)11(13(24)20-15)17-8(2)22/h3-6H,1-2H3,(H,17,22)(H3,16,18,19,20,21,23,24)
InChIKeyICRPCBPFRZRXNK-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.43
Rot. Bonds3

About N-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide

N-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide (PubChem CID 23732160) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide
PubChem CID23732160
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC NameN-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1c(O)nc(Nc2nc(C)c3ccccc3n2)[nH]c1=O
InChIInChI=1S/C15H14N6O3/c1-7-9-5-3-4-6-10(9)18-14(16-7)21-15-19-12(23)11(13(24)20-15)17-8(2)22/h3-6H,1-2H3,(H,17,22)(H3,16,18,19,20,21,23,24)
InChIKeyICRPCBPFRZRXNK-UHFFFAOYSA-N
XLogP1.43
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide?
The IUPAC name of N-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide (CID 23732160) is N-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide is CC(=O)Nc1c(O)nc(Nc2nc(C)c3ccccc3n2)[nH]c1=O.
What is the InChIKey of N-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide?
The InChIKey is ICRPCBPFRZRXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c1-7-9-5-3-4-6-10(9)18-14(16-7)21-15-19-12(23)11(13(24)20-15)17-8(2)22/h3-6H,1-2H3,(H,17,22)(H3,16,18,19,20,21,23,24).
What are the key properties of N-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide?
N-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide has a molecular weight of 326.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide is sourced from PubChem (CID 23732160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).